(1E)-octadeca-1,3,5-trien-1-ol

C18H32O — CID 175012248

IUPAC(1E)-octadeca-1,3,5-trien-1-ol
SMILESCCCCCCCCCCCCC=CC=C/C=C/O
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h13-19H,2-12H2,1H3/b14-13?,16-15?,18-17+
InChIKeyJOIFOUCYBQUAPM-YYJVNFQYSA-N
MW264.45 g/mol
LogP6.48
Rot. Bonds13

About (1E)-octadeca-1,3,5-trien-1-ol

(1E)-octadeca-1,3,5-trien-1-ol (PubChem CID 175012248) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (1E)-octadeca-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E)-octadeca-1,3,5-trien-1-ol
PubChem CID175012248
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(1E)-octadeca-1,3,5-trien-1-ol
SMILESCCCCCCCCCCCCC=CC=C/C=C/O
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h13-19H,2-12H2,1H3/b14-13?,16-15?,18-17+
InChIKeyJOIFOUCYBQUAPM-YYJVNFQYSA-N
XLogP6.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 173206740
(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
CID 18352229
(1E,3E,5E,7Z,9Z,11E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 87558928
(1E,3E,5Z)-octadeca-1,3,5-trien-1-ol
CID 90419850
tetradeca-1,3-dien-1-ol
CID 73437176
(1Z,3Z)-undeca-1,3-dien-1-ol
CID 86738537
(1E)-octa-1,3-dien-1-ol
CID 154003406
(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
8-(3-octyloxiran-2-yl)octa-1,3-dien-1-ol
CID 175142934
(1E,3Z)-8-[(2R,3S)-3-octyloxiran-2-yl]octa-1,3-dien-1-ol
CID 175795531

Frequently Asked Questions

What is the IUPAC name of (1E)-octadeca-1,3,5-trien-1-ol?
The IUPAC name of (1E)-octadeca-1,3,5-trien-1-ol (CID 175012248) is (1E)-octadeca-1,3,5-trien-1-ol.
What is the SMILES notation for (1E)-octadeca-1,3,5-trien-1-ol?
The canonical SMILES for (1E)-octadeca-1,3,5-trien-1-ol is CCCCCCCCCCCCC=CC=C/C=C/O.
What is the InChIKey of (1E)-octadeca-1,3,5-trien-1-ol?
The InChIKey is JOIFOUCYBQUAPM-YYJVNFQYSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h13-19H,2-12H2,1H3/b14-13?,16-15?,18-17+.
What are the key properties of (1E)-octadeca-1,3,5-trien-1-ol?
(1E)-octadeca-1,3,5-trien-1-ol has a molecular weight of 264.45 g/mol, XLogP of 6.48, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-octadeca-1,3,5-trien-1-ol is sourced from PubChem (CID 175012248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).